MMs00164850 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 -2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 -1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7457 -1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 -1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 1.2769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0085 2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5085 2.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2542 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7542 1.2572 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7493 -0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2542 1.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0084 2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5084 2.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2627 3.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5170 5.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0170 5.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2627 3.8504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -3.9045 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 -3.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 1.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1576 2.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 3.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1119 3.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0965 -1.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3965 -1.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8508 0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1050 1.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4627 3.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1204 6.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4204 6.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 M END